5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C16H14N4O3S2 — CID 9291577

IUPAC5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1nc2ccccc2n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C16H14N4O3S2/c1-25(21,22)10-14-17-11-5-2-3-6-12(11)20(14)9-15-18-16(19-23-15)13-7-4-8-24-13/h2-8H,9-10H2,1H3
InChIKeyIDWUPYLPBXFOCJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.74
Rot. Bonds5

About 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 9291577) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID9291577
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1nc2ccccc2n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C16H14N4O3S2/c1-25(21,22)10-14-17-11-5-2-3-6-12(11)20(14)9-15-18-16(19-23-15)13-7-4-8-24-13/h2-8H,9-10H2,1H3
InChIKeyIDWUPYLPBXFOCJ-UHFFFAOYSA-N
XLogP2.74
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 25330962
3-methyl-1-[5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 167761987
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 60613932
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
CID 71942268
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
1-ethyl-3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzimidazol-2-one
CID 16606341
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 47206964
1-phenyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,3-dione
CID 167997716
5-[[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78836560
methyl 2-[2,4-dioxo-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-3-yl]benzoate
CID 53101029

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 9291577) is 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CS(=O)(=O)Cc1nc2ccccc2n1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is IDWUPYLPBXFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-25(21,22)10-14-17-11-5-2-3-6-12(11)20(14)9-15-18-16(19-23-15)13-7-4-8-24-13/h2-8H,9-10H2,1H3.
What are the key properties of 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 374.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 9291577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).